Go Back
ZINC ID                   RADAR Physiochemical Propperties Lipophilicity Water solubility Phyarmacokinetics Druglikeness Medicinal Chemistry
45238646

CNC(=O)c1nc2c([nH]1)cccc2C
Formula:C10H11N3O
Mol: 189.21
Heavy atoms:14
Aromatic heavy atoms: 9
Fraction Csp3: 0.20
Rotatable bonds: 2
H-bond acceptors: 2
H-bond donors: 2
MR: 54.06
TPSA: 57.78
ILOGP:1.81
XLOGP3: 1.46
WLOGP: 1.23
MLOGP: 0.80
Silicos ITLogP: 1.98
Consensus LogP: 1.46
ESOL
LogS:-2.28
Solubility(mg/ml): 1.000000
Solubility(mol/l):0.005290
Class:Soluble

Ali
LogS:-2.28
Solubility(mg/ml): 0.994000
Solubility(mol/l): 0.005250
Class:Soluble

SilicosIT
LogS:-3.69
Solubility(mg/ml): 0.038800
Solubility(mol/l): 0.000205
Class:Soluble
GIAbsorption:High
BBB permeant: Yes
Pgp substrate: No
CYP1A2 inhibitor: Yes
CYP2C19:  No
CYP2C9:  No
CYP2D6:  No
CYP3A4:  No
Log kp:  -6.42
Lipinski:0
Ghose: 0
Veber: 0
Egan: 0
Muegge: 1
Bioavalability Score0.55
PAINS:0
Brenk: 0
Leadlikeness: 1
Synthetic Accessibility: 1.64